In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | Yes |
Popular Name: 4-tert-butyl-N-[6-[4-(2-hydroxy-1,1-dimethyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-tert-butyl-N-[6-[4-(2-hydroxy-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.25 | 9.82 | -39.74 | 3 | 6 | 1 | 70 | 425.597 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 10.14 | -95.68 | 4 | 6 | 2 | 71 | 426.605 | 6 | ↓ |